9C7I

Crystal structure of caryolan-1-ol synthase from S. griseus with PEG molecule in the active site

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	(+)-caryolan-1-ol synthase	polymer	349	39694.6	4	UniProt (B1W019) Pfam (PF19086)	Streptomyces griseus	(+)-beta-caryophyllene synthase
2	E, M (A, D)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
3	F, H, I, K, L... (A, B, C, D)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
4	G, J (B, C)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	767	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 335 (UniProt: B1W019)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	158778.3
Non-Polymers*	Number of molecules	10
	Total formula weight	1105.5
All*	Total formula weight	159883.8

*Water molecules are not included.